Geometry & MOs

Info

ID:	178986
PubChem CID:	76413062
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	581.092657
ΔH_f, kcal/mol:	-58.1
Dipole, Da:	7.98
IP(EA), eV:	-8.78(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(benzenesulfonyl)-6-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenoxy]-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)CNC(CC2=CC=C(C=C2)N3C=CC=C3)C(=O)O)C

DOS

IR

Vibrations